General Information of the Compound
| Compound ID |
CP0480784
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| Compound Name |
2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-3-carboxylic acid 3,5-bis-trifluoromethyl-benzylamide
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| Structure |
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| Formula |
C27H20F6N2O2
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| Molecular Weight |
518.457
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| Canonical SMILES |
Cc1ccccc1-c1c(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)n(C)c(=O)c2ccccc12
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| InChI |
InChI=1S/C27H20F6N2O2/c1-15-7-3-4-8-19(15)22-20-9-5-6-10-21(20)25(37)35(2)23(22)24(36)34-14-16-11-17(26(28,29)30)13-18(12-16)27(31,32)33/h3-13H,14H2,1-2H3,(H,34,36)
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| InChIKey |
BDFUSNFQDJPSLX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound